SCHEMBL5235901

SCHEMBL5235901

CNC1(C(C)=O)CN(c2ccc3cnc(Cl)cc3c2)CCN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.37
DYRK1A Q13627 6/20 0.33
WNT1 P04628 5/20 0.33
ALK Q9UM73 3/20 0.33
TRPV1 Q8NER1 1/20 0.32
GSK3B P49841 3/20 0.31
WNT3A P56704 1/20 0.31
MAP3K5 Q99683 1/20 0.31
IDO1 P14902 1/20 0.31
CBLB Q13191 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5232310 0.84 ABL1 (0.36) ABL1DYRK1AWNT1ALKTRPV1
SCHEMBL5235907 0.81 ABL1 (0.35) ABL1DYRK1AWNT1TRPV1GSK3B
SCHEMBL5235799 0.81 MAPT (0.47) ABL1
SCHEMBL5239092 0.79 MEN1 (0.41)
SCHEMBL5236739 0.79 HTR1A (0.44)
SCHEMBL5236415 0.78 ADAMTS5 (0.40)
SCHEMBL5236348 0.77 CHRNB2 (0.40) IDO1
SCHEMBL5235440 0.76 ALDH1A1 (0.40)
SCHEMBL5239779 0.76 MAPT (0.40)
SCHEMBL5231416 0.76 NOTUM (0.49)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1701946-B1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI AVENTIS (FR) 2007-12-19 EP claimed